2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol

C17H17N3OS — CID 45483951

IUPAC2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol
SMILESCc1cccc(Nc2nc(-c3ccncc3)c(CCO)s2)c1
InChIInChI=1S/C17H17N3OS/c1-12-3-2-4-14(11-12)19-17-20-16(15(22-17)7-10-21)13-5-8-18-9-6-13/h2-6,8-9,11,21H,7,10H2,1H3,(H,19,20)
InChIKeyHIKVTUHHZVNIEP-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.79
Rot. Bonds5

About 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol

2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol (PubChem CID 45483951) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol
PubChem CID45483951
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol
SMILESCc1cccc(Nc2nc(-c3ccncc3)c(CCO)s2)c1
InChIInChI=1S/C17H17N3OS/c1-12-3-2-4-14(11-12)19-17-20-16(15(22-17)7-10-21)13-5-8-18-9-6-13/h2-6,8-9,11,21H,7,10H2,1H3,(H,19,20)
InChIKeyHIKVTUHHZVNIEP-UHFFFAOYSA-N
XLogP3.79
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol?
The IUPAC name of 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol (CID 45483951) is 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol.
What is the SMILES notation for 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol?
The canonical SMILES for 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol is Cc1cccc(Nc2nc(-c3ccncc3)c(CCO)s2)c1.
What is the InChIKey of 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol?
The InChIKey is HIKVTUHHZVNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c1-12-3-2-4-14(11-12)19-17-20-16(15(22-17)7-10-21)13-5-8-18-9-6-13/h2-6,8-9,11,21H,7,10H2,1H3,(H,19,20).
What are the key properties of 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol?
2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol has a molecular weight of 311.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylanilino)-4-pyridin-4-yl-1,3-thiazol-5-yl]ethanol is sourced from PubChem (CID 45483951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).